Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMAVYTKLSDEYIKNILKSYSFKKVDRIEEISEGILNTNYFVEGDKGKFIFRILEGERDYTEEVKELEFL-EYLNLNGFPCPTAIKNDLGENYTFIDGKMTSVFTFIEG-EKVKSINENNIKEIGQKLGKMHNLLKDRDIKRNRKIDMQYFYDIISKADLRGILKDD--YDFIMKYYERASKIDYSNLPFGIIHNDIFPDNVFMQEGEISGIIDFNDCLRGPLILDLAIVISFWIRNRGFSDEVENRLTEVFLNAYESERKITEEEKELMNEALIRIALTFIFLRVNKFHVEDNSSVNMEFKNYKDLLPLLRYF------------
2PPQ Chain:A ((5-320))----TDITEDELRNFLTQYDVGSLTSYKGIAE---NSNFLLHTTKDPLILTLYEKK----NDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKP-EAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEK--DGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLYDWLTTPAGA-LVVKKDPLEYLRKLRFHRTIANVAEYGLA


General information:
TITO was launched using:
RESULT:

Template: 2PPQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1399 -59369 -42.44 -201.93
target 2D structure prediction score : 0.64
Monomeric hydrophicity matching model chain A : 0.69

3D Compatibility (PKB) : -42.44
2D Compatibility (Sec. Struct. Predict.) : 0.64
1D Compatibility (Hydrophobicity) : 0.69
QMean score : 0.529

(partial model without unconserved sides chains):
PDB file : Tito_2PPQ.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2ppq-query.scw
PDB file : Tito_Scwrl_2PPQ.pdb: